BDBM1086 (4R,5R,6R)-4-benzyl-5-hydroxy-6-(2-phenylethyl)-1,3-diazinan-2-one::(4R,5R,6R)-Tetrahydro-5-hydroxy-4-(2-phenylethyl)-6-(phenylmethyl)-2(1H)-pyrimidinone::Tetrahydropyrimidinone deriv. 17
SMILES: O[C@@H]1[C@@H](CCc2ccccc2)NC(=O)N[C@@H]1Cc1ccccc1
InChI Key: InChIKey=FUDUYBXLEUOWMF-KZNAEPCWSA-N
Data: 4 KI
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM1086![]() ((4R,5R,6R)-4-benzyl-5-hydroxy-6-(2-phenylethyl)-1,...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 970 | -8.53 | n/a | n/a | n/a | n/a | n/a | 5.5 | 37 |
DuPont Merck Pharmaceutical Company | Assay Description Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-... | J Med Chem 40: 1707-9 (1997) Article DOI: 10.1021/jm970081i BindingDB Entry DOI: 10.7270/Q2CR5RHB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM1086![]() ((4R,5R,6R)-4-benzyl-5-hydroxy-6-(2-phenylethyl)-1,...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company | Assay Description Inhibition constant of HIV protease inhibitors | J Med Chem 42: 135-52 (1999) Article DOI: 10.1021/jm9803626 BindingDB Entry DOI: 10.7270/Q28050S9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM1086![]() ((4R,5R,6R)-4-benzyl-5-hydroxy-6-(2-phenylethyl)-1,...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PubMed | 971 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida Curated by ChEMBL | Assay Description Inhibitory activity of compound against HIV-1 aspartyl protease. | Bioorg Med Chem Lett 12: 3453-7 (2002) BindingDB Entry DOI: 10.7270/Q2B27WG3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM1086![]() ((4R,5R,6R)-4-benzyl-5-hydroxy-6-(2-phenylethyl)-1,...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 977 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Missouri-St. Louis Curated by ChEMBL | Assay Description Inhibitory activity against HIV-1 protease | J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8 | |||||||||||
More data for this Ligand-Target Pair |